PHYSICAL REVIEW B 102, 245115 (2020) Memory-Critical Dynamical
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Polarons Get the Full Treatment
VIEWPOINT Polarons Get the Full Treatment A new way to model polarons combines the intuition of modeling with the realism of simulations, allowing these quasiparticles to be studied in a broader range of materials. by Chris G. Van de Walle∗ When an electron travels through a solid, its negative charge exerts an attractive force on the surrounding posi- n 1933, theoretical physicist Lev Landau wrote a tively charged atomic nuclei. In response, the nuclei move 500-word article discussing how an electron traveling away from their equilibrium positions, trying to reach for through a solid might end up trapped by a distortion of the electron. The resulting distortion of the crystalline lat- the surrounding lattice [1]. Those few lines marked the tice creates a lump of positive charge that tags along with Ibeginning of the study of what we now call polarons, some the moving electron. This combination of the electron and of the most celebrated “quasiparticles” in condensed-matter the lattice distortion—which can be seen as an elementary physics—essential to understanding devices such as organic particle moving through the solid—is a polaron [4, 5]. In light-emitting-diode (OLED) displays or the touchscreens of the language of condensed-matter physics, the polaron is a smart devices. Until now, researchers have relied on two quasiparticle formed by “dressing” an electron with a cloud approaches to describe these complex quasiparticles: ide- of phonons, the quantized vibrations of the crystal lattice. alized mathematical models and numerical methods based Polarons may be large or small—depending on how the size on density-functional theory (DFT). -
Large Polaron Formation and Its Effect on Electron Transport in Hybrid
Large Polaron Formation and its Effect on Electron Transport in Hybrid Perovskite Fan Zheng and Lin-wang Wang∗ 1 Joint Center for Artificial Photosynthesis and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA. E-mail: [email protected] 2 Abstract 3 Many experiments have indicated that large polaron may be formed in hybrid per- 4 ovskite, and its existence is proposed to screen the carrier-carrier and carrier-defect 5 scattering, thus contributing to the long lifetime for the carriers. However, detailed 6 theoretical study of the large polaron and its effect on carrier transport at the atomic 7 level is still lacking. In particular, how strong is the large polaron binding energy, 8 how does its effect compare with the effect of dynamic disorder caused by the A-site 9 molecular rotation, and how does the inorganic sublattice vibration impact the mo- 10 tion of the large polaron, all these questions are largely unanswered. In this work, 11 using CH3NH3PbI3 as an example, we implement tight-binding model fitted from the 12 density-functional theory to describe the electron large polaron ground state and to 13 understand the large polaron formation and transport at its strong-coupling limit. We 14 find that the formation energy of the large polaron is around -12 meV for the case 15 without dynamic disorder, and -55 meV by including dynamic disorder. By perform- 16 ing the explicit time-dependent wavefunction evolution of the polaron state, together + − 17 with the rotations of CH3NH3 and vibrations of PbI3 sublattice, we studied the diffu- 18 sion constant and mobility of the large polaron state driven by the dynamic disorder 1 19 and the sublattice vibration. -
Arxiv:2006.13529V2 [Quant-Ph] 1 Jul 2020 Utrwith Ductor Es[E Fig
Memory-Critical Dynamical Buildup of Phonon-Dressed Majorana Fermions Oliver Kaestle,1, ∗ Ying Hu,2, 3 Alexander Carmele1 1Technische Universit¨at Berlin, Institut f¨ur Theoretische Physik, Nichtlineare Optik und Quantenelektronik, Hardenbergstrae 36, 10623 Berlin, Germany 2State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan, Shanxi 030006, China 3Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan, Shanxi 030006, China (Dated: July 28, 2021) We investigate the dynamical interplay between topological state of matter and a non-Markovian dissipation, which gives rise to a new and crucial time scale into the system dynamics due to its quan- tum memory. We specifically study a one-dimensional polaronic topological superconductor with phonon-dressed p-wave pairing, when a fast temperature increase in surrounding phonons induces an open-system dynamics. We show that when the memory depth increases, the Majorana edge dynam- ics transits from relaxing monotonically to a plateau of substantial value into a collapse-and-buildup behavior, even when the polaron Hamiltonian is close to the topological phase boundary. Above a critical memory depth, the system can approach a new dressed state of topological superconductor in dynamical equilibrium with phonons, with nearly full buildup of Majorana correlation. Exploring topological properties out of equilibrium is stantial preservation of topological properties far from central in the effort to realize, -
Polaron Formation in Cuprates
Polaron formation in cuprates Olle Gunnarsson 1. Polaronic behavior in undoped cuprates. a. Is the electron-phonon interaction strong enough? b. Can we describe the photoemission line shape? 2. Does the Coulomb interaction enhance or suppress the electron-phonon interaction? Large difference between electrons and phonons. Cooperation: Oliver Rosch,¨ Giorgio Sangiovanni, Erik Koch, Claudio Castellani and Massimo Capone. Max-Planck Institut, Stuttgart, Germany 1 Important effects of electron-phonon coupling • Photoemission: Kink in nodal direction. • Photoemission: Polaron formation in undoped cuprates. • Strong softening, broadening of half-breathing and apical phonons. • Scanning tunneling microscopy. Isotope effect. MPI-FKF Stuttgart 2 Models Half- Coulomb interaction important. breathing. Here use Hubbard or t-J models. Breathing and apical phonons: Coupling to level energies >> Apical. coupling to hopping integrals. ⇒ g(k, q) ≈ g(q). Rosch¨ and Gunnarsson, PRL 92, 146403 (2004). MPI-FKF Stuttgart 3 Photoemission. Polarons H = ε0c†c + gc†c(b + b†) + ωphb†b. Weak coupling Strong coupling 2 ω 2 ω 2 1.8 (g/ ph) =0.5 (g/ ph) =4.0 1.6 1.4 1.2 ph ω ) 1 ω A( 0.8 0.6 Z 0.4 0.2 0 -8 -6 -4 -2 0 2 4 6-6 -4 -2 0 2 4 ω ω ω ω / ph / ph Strong coupling: Exponentially small quasi-particle weight (here criterion for polarons). Broad, approximately Gaussian side band of phonon satellites. MPI-FKF Stuttgart 4 Polaronic behavior Undoped CaCuO2Cl2. K.M. Shen et al., PRL 93, 267002 (2004). Spectrum very broad (insulator: no electron-hole pair exc.) Shape Gaussian, not like a quasi-particle. -
Plasmon‑Polaron Coupling in Conjugated Polymers on Infrared Metamaterials
This document is downloaded from DR‑NTU (https://dr.ntu.edu.sg) Nanyang Technological University, Singapore. Plasmon‑polaron coupling in conjugated polymers on infrared metamaterials Wang, Zilong 2015 Wang, Z. (2015). Plasmon‑polaron coupling in conjugated polymers on infrared metamaterials. Doctoral thesis, Nanyang Technological University, Singapore. https://hdl.handle.net/10356/65636 https://doi.org/10.32657/10356/65636 Downloaded on 04 Oct 2021 22:08:13 SGT PLASMON-POLARON COUPLING IN CONJUGATED POLYMERS ON INFRARED METAMATERIALS WANG ZILONG SCHOOL OF PHYSICAL & MATHEMATICAL SCIENCES 2015 Plasmon-Polaron Coupling in Conjugated Polymers on Infrared Metamaterials WANG ZILONG WANG WANG ZILONG School of Physical and Mathematical Sciences A thesis submitted to the Nanyang Technological University in partial fulfilment of the requirement for the degree of Doctor of Philosophy 2015 Acknowledgements First of all, I would like to express my deepest appreciation and gratitude to my supervisor, Asst. Prof. Cesare Soci, for his support, help, guidance and patience for my research work. His passion for sciences, motivation for research and knowledge of Physics always encourage me keep learning and perusing new knowledge. As one of his first batch of graduate students, I am always thankful to have the opportunity to join with him establishing the optical spectroscopy lab and setting up experiment procedures, through which I have gained invaluable and unique experiences comparing with many other students. My special thanks to our collaborators, Professor Dr. Harald Giessen and Dr. Jun Zhao, Ms. Bettina Frank from the University of Stuttgart, Germany. Without their supports, the major idea of this thesis cannot be experimentally realized. -
Polaron Physics Beyond the Holstein Model
Polaron physics beyond the Holstein model by Dominic Marchand B.Sc. in Computer Engineering, Universit´eLaval, 2002 B.Sc. in Physics, Universit´eLaval, 2004 M.Sc. in Physics, The University of British Columbia, 2006 A THESIS SUBMITTED IN PARTIAL FULFILLMENT OF THE REQUIREMENTS FOR THE DEGREE OF DOCTOR OF PHILOSOPHY in The Faculty of Graduate Studies (Physics) THE UNIVERSITY OF BRITISH COLUMBIA (Vancouver) September 2011 c Dominic Marchand 2011 Abstract Many condensed matter problems involve a particle coupled to its environment. The polaron, originally introduced to describe electrons in a polarizable medium, describes a particle coupled to a bosonic field. The Holstein polaron model, although simple, including only optical Einstein phonons and an interaction that couples them to the electron density, captures almost all of the standard polaronic properties. We herein investigate polarons that differ significantly from this behaviour. We study a model with phonon-modulated hopping, and find a radically different behaviour at strong couplings. We report a sharp transition, not a crossover, with a diverging effective mass at the critical coupling. We also look at a model with acoustic phonons, away from the perturbative limit, and again discover unusual polaron properties. Our work relies on the Bold Diagrammatic Monte Carlo (BDMC) method, which samples Feynman diagrammatic expansions efficiently, even those with weak sign problems. Proposed by Prokof’ev and Svistunov, it is extended to lattice polarons for the first time here. We also use the Momentum Average (MA) approximation, an analytical method proposed by Berciu, and find an excellent agreement with the BDMC results. A novel MA approximation able to treat dispersive phonons is also presented, along with a new exact solution for finite systems, inspired by the same formalism. -
Room Temperature and Low-Field Resonant Enhancement of Spin
ARTICLE https://doi.org/10.1038/s41467-019-13121-5 OPEN Room temperature and low-field resonant enhancement of spin Seebeck effect in partially compensated magnets R. Ramos 1*, T. Hioki 2, Y. Hashimoto1, T. Kikkawa 1,2, P. Frey3, A.J.E. Kreil 3, V.I. Vasyuchka3, A.A. Serga 3, B. Hillebrands 3 & E. Saitoh1,2,4,5,6 1234567890():,; Resonant enhancement of spin Seebeck effect (SSE) due to phonons was recently discovered in Y3Fe5O12 (YIG). This effect is explained by hybridization between the magnon and phonon dispersions. However, this effect was observed at low temperatures and high magnetic fields, limiting the scope for applications. Here we report observation of phonon-resonant enhancement of SSE at room temperature and low magnetic field. We observe in fi Lu2BiFe4GaO12 an enhancement 700% greater than that in a YIG lm and at very low magnetic fields around 10À1 T, almost one order of magnitude lower than that of YIG. The result can be explained by the change in the magnon dispersion induced by magnetic compensation due to the presence of non-magnetic ion substitutions. Our study provides a way to tune the magnon response in a crystal by chemical doping, with potential applications for spintronic devices. 1 WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan. 2 Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan. 3 Fachbereich Physik and Landesforschungszentrum OPTIMAS, Technische Universität Kaiserslautern, 67663 Kaiserslautern, Germany. 4 Department of Applied Physics, The University of Tokyo, Tokyo 113-8656, Japan. 5 Center for Spintronics Research Network, Tohoku University, Sendai 980-8577, Japan. -
The Polaron Hydrogenic Atom in a Strong Magnetic Field A
THE POLARON HYDROGENIC ATOM IN A STRONG MAGNETIC FIELD ADissertation Presented to The Academic Faculty By Rohan Ghanta In Partial Fulfillment of the Requirements for the Degree Doctor of Philosophy in the School of Mathematics Georgia Institute of Technology August 2019 Copyright c Rohan Ghanta 2019 THE POLARON HYDROGENIC ATOM IN A STRONG MAGNETIC FIELD Approved by: Dr. Michael Loss, Advisor Dr. Evans Harrell School of Mathematics School of Mathematics Georgia Institute of Technology Georgia Institute of Technology Dr. Federico Bonetto Dr. Brian Kennedy School of Mathematics School of Physics Georgia Institute of Technology Georgia Institute of Technology Dr. Rafael de la Llave Date Approved: May 2, 2019 School of Mathematics Georgia Institute of Technology “An electron moving moving with its accompanying distortion of the lattice has sometimes been called a polaron. It has an e↵ective mass higher than that of the electron. We wish to compute the energy and e↵ective mass of such an electron. A summary giving the present state of this problem has been given by Fr¨ohlich. He makes simplifying assumptions, such that the crystal lattice acts like a dielectric medium, and that all the important phonon waves have the same frequency. We will not discuss the validity of these assumptions here, but will consider the problem described by Fr¨ohlich as simply a mathematical problem.” R.P. Feynman, “Slow Electrons in a Polar Crystal,” (1954). “However, Feynman’s method is rather complicated, requiring the services of the Massachusetts Institute of Technology Whirlwind computer, and moreover su↵ers from a lack of directness. It is not clear how to relate his method to more pedestrian manipulations of Hamiltonians and wave functions.” E.H. -
Basic Theory and Phenomenology of Polarons
Basic theory and phenomenology of polarons Steven J.F. Byrnes Department of Physics, University of California at Berkeley, Berkeley, CA 94720 December 2, 2008 Polarons are defined and discussed at an introductory, conceptual level. The important subcategories of polarons–large polarons, small polarons, and bipolarons–are considered in turn, along with the basic formulas and qualitative behaviors. Properties that affect electrical transport are emphasized. I. Introduction In a typical covalently-bonded crystal (such as typical Group IV or III-V semiconductors), electrons and holes can be characterized to an excellent approximation by assuming that they move through a crystal whose atoms are frozen into place. The electrons and holes can scatter off phonons, of course, but when no phonons are present (say, at very low temperature), all ionic displacement is ignored in describing electron and hole transport and properties. This approach is inadequate in ionic or highly polar crystals (such as many II-VI semiconductors, alkali halides, oxides, and others), where the Coulomb interaction between a conduction electron and the lattice ions results in a strong electron-phonon coupling. In this case, even with no real phonons present, the electron is always surrounded by a cloud of virtual phonons. The cloud of virtual phonons corresponds physically to the electron pulling nearby positive ions towards it and pushing nearby negative ions away. The electron and its virtual phonons, taken together, can be treated as a new composite particle, called a polaron . (In particular, the above describes an electron polaron ; the hole polaron is defined analogously. For brevity, this paper will generally discuss only electron polarons, and it will be understood that hole polarons are analogous.) 1 The concept of a polaron was set forth by Landau in 1933 [1,2]. -
A Feynman Path-Integral Calculation of the Polaron Effective Mass. Manmohan Singh Chawla Louisiana State University and Agricultural & Mechanical College
Louisiana State University LSU Digital Commons LSU Historical Dissertations and Theses Graduate School 1971 A Feynman Path-Integral Calculation of the Polaron Effective Mass. Manmohan Singh Chawla Louisiana State University and Agricultural & Mechanical College Follow this and additional works at: https://digitalcommons.lsu.edu/gradschool_disstheses Recommended Citation Chawla, Manmohan Singh, "A Feynman Path-Integral Calculation of the Polaron Effective Mass." (1971). LSU Historical Dissertations and Theses. 1910. https://digitalcommons.lsu.edu/gradschool_disstheses/1910 This Dissertation is brought to you for free and open access by the Graduate School at LSU Digital Commons. It has been accepted for inclusion in LSU Historical Dissertations and Theses by an authorized administrator of LSU Digital Commons. For more information, please contact [email protected]. 71-20,582 CHAWLA, Manmohan Singh, 1940- A FEYNMAN PATH-INTEGRAL CALCULATION OF THE POLARON EFFECTIVE MASS. The Louisiana State University and Agricultural and Mechanical College, Ph.D., 1971 Physics, solid state ■i University Microfilms, A XEROX Company, Ann Arbor, Michigan I THIS DISSERTATION HAS BEEN MICROFILMED EXACTLY AS RECEIVED A FEYNMAN PATH-INTEGRAL CALCULATION OF THE POLARON EFFECTIVE MASS A Dissertation Submitted to the Graduate Faculty of the Louisiana State University and Agricultural and Mechanical College in partial fulfillment of the requirements for the degree of Doctor of Philosophy in The Department of Physics and Astronomy by Manmohan Singh Chawla B.Sc., University of Rajasthan, 1960 M.Sc., University of Rajasthan, 1963 A. Inst. N.P., Calcutta University, 1965 January, 1971 PLEASE NOTE: Some pages have small and indistinct type. Filmed as received. University Microfilms ACKNOWLEDGEMENTS The author wishes to express hi's appreciation to Dr. -
Exploring Exciton and Polaron Dominated Photophysical Phenomena in Ruddlesden–Popper Phases of Ban+1Zrns3n+1 (N = 1–3) From
pubs.acs.org/JPCL Letter Exploring Exciton and Polaron Dominated Photophysical − Phenomena in Ruddlesden Popper Phases of Ban+1ZrnS3n+1 (n =1−3) from Many Body Perturbation Theory Deepika Gill,* Arunima Singh, Manjari Jain, and Saswata Bhattacharya* Cite This: J. Phys. Chem. Lett. 2021, 12, 6698−6706 Read Online ACCESS Metrics & More Article Recommendations *sı Supporting Information − ABSTRACT: Ruddlesden Popper (RP) phases of Ban+1ZrnS3n+1 are an evolving class of chalcogenide perovskites in the field of optoelectronics, especially in solar cells. However, detailed studies regarding its optical, excitonic, polaronic, and transport properties are hitherto unknown. Here, we have explored the excitonic and polaronic effect using several first- principles based methodologies under the framework of Many Body Perturbation Theory. Unlike its bulk counterpart, the optical and excitonic anisotropy are observed in Ban+1ZrnS3n+1 (n =1−3) RP phases. As per the Wannier−Mott approach, the ionic contribution to the dielectric constant is important, but it gets decreased on increasing n in Ban+1ZrnS3n+1. The exciton binding energy is found to be dependent on the presence of large electron−phonon coupling. We further observed maximum charge carrier mobility in the Ba2ZrS4 phase. As per our analysis, the optical phonon modes are observed to dominate the acoustic phonon modes, − leading to a decrease in polaron mobility on increasing n in Ban+1ZrnS3n+1 (n =1 3). − erovskites with the general chemical formula ABX3 have research toward its new phases named -
Mirror As Polaron with Internal Degrees of Freedom
Mirror as polaron with internal degrees of freedom G.E. Volovik Low Temperature Laboratory, Aalto University, P.O. Box 15100, FI-00076 Aalto, Finland and Landau Institute for Theoretical Physics RAS, Kosygina 2, 119334 Moscow, Russia M.A. Zubkov University of Western Ontario, London, ON, Canada N6A 5B7 and ITEP, B.Cheremushkinskaya 25, Moscow, 117259, Russia We consider the model suggested by Wang and Unruh [1] for the 1 + 1 D mirror moving in the quantum vacuum. We consider the relation of this model to the problem of polaron – the electron moving in the vacuum of the quantum field of phonons. We introduce the field - theoretical model of such a mirror. It contains the multi - component spinor field interacting with the scalar field. We discuss the source of the logarithmic divergence in the mirror mass and its relation to the problem of the divergencies in vacuum energy. I. INTRODUCTION The authors of [1] consider the mirror with an internal harmonic oscillator coupled to a scalar field in 1 + 1 D. It is found that the effective mass (the rest energy) of such a composite mirror is infinite (logarithmically divergent) due to the vacuum fluctuations of the scalar field. This system is considered in [1] as the counter - example to the generally accepted statement, that the vacuum energy matters only when taking gravity into account (otherwise one can only measure the energy differences). It is argued, that in the given system the infinities like that of the vacuum energy do matter. First of all, we disagree with the mentioned generally accepted statement.